5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one

C18H22FN3O4 — CID 134711093

IUPAC5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCN(C(=O)c3ccc(F)c(O)c3)CC2)CN1
InChIInChI=1S/C18H22FN3O4/c19-14-4-2-12(10-15(14)23)17(25)21-6-1-7-22(9-8-21)18(26)13-3-5-16(24)20-11-13/h2,4,10,13,23H,1,3,5-9,11H2,(H,20,24)
InChIKeyUUJCROCPOGSBAZ-UHFFFAOYSA-N
MW363.39 g/mol
LogP0.73
Rot. Bonds2

About 5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one

5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one (PubChem CID 134711093) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is 5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one
PubChem CID134711093
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCN(C(=O)c3ccc(F)c(O)c3)CC2)CN1
InChIInChI=1S/C18H22FN3O4/c19-14-4-2-12(10-15(14)23)17(25)21-6-1-7-22(9-8-21)18(26)13-3-5-16(24)20-11-13/h2,4,10,13,23H,1,3,5-9,11H2,(H,20,24)
InChIKeyUUJCROCPOGSBAZ-UHFFFAOYSA-N
XLogP0.73
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one?
The IUPAC name of 5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one (CID 134711093) is 5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one?
The canonical SMILES for 5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one is O=C1CCC(C(=O)N2CCCN(C(=O)c3ccc(F)c(O)c3)CC2)CN1.
What is the InChIKey of 5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one?
The InChIKey is UUJCROCPOGSBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4/c19-14-4-2-12(10-15(14)23)17(25)21-6-1-7-22(9-8-21)18(26)13-3-5-16(24)20-11-13/h2,4,10,13,23H,1,3,5-9,11H2,(H,20,24).
What are the key properties of 5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one?
5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one has a molecular weight of 363.39 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluoro-3-hydroxybenzoyl)-1,4-diazepane-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 134711093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).